波段分辨的任意技术——在焓计算中的应用

A.W. Baker, M.D. Yeaman
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引用次数: 20

摘要

探讨了将重叠带的区域分割成可用于焓计算的部分的方法。这些方法由任意程序组成,其中在峰值之间的最大值或最小值处垂直绘制分界线。用洛伦兹或高斯谱带作为模型来检验由此得到的焓可能存在的误差。结果表明,在一般情况下,这两种剖面的误差方向相反,并且在实波段上趋于抵消。
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Arbitrary techniques of band resolution—application to enthalpy calculations

Methods are explored for separating areas of overlapping bands into parts useful for enthalpy calculations. These methods consist of arbitrary procedures wherein lines of demarcation are drawn vertically at peak maxima or at the minimum between the peaks. Possible errors in the enthalpies thus obtained are examined by using Lorentzian or Gaussian band profiles as models. It is shown that, in general, the errors for these two profiles are in opposite directions and that they tend to cancel for real bands.

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